N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

C23H21ClFNO4 — CID 122591164

IUPACN-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21ClFNO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-25)20-13-17(24)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyWXXXLSIQXOUJOB-UHFFFAOYSA-N
MW429.88 g/mol
LogP5.65
Rot. Bonds8

About N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide

N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (PubChem CID 122591164) has the molecular formula C23H21ClFNO4 and a molecular weight of 429.88 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
PubChem CID122591164
Molecular FormulaC23H21ClFNO4
Molecular Weight429.88 g/mol
Exact Mass429.11
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
SMILESCOc1ccc(OC)c(CN(C(=O)CF)c2cc(Cl)ccc2Oc2ccccc2)c1
InChIInChI=1S/C23H21ClFNO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-25)20-13-17(24)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyWXXXLSIQXOUJOB-UHFFFAOYSA-N
XLogP5.65
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.88
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 71470709
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294
N-[2-(benzenesulfonyl)phenyl]-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide
CID 70682572
N-[[2-(fluoromethyl)-5-methoxyphenyl]methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
CID 22556111
1-(4-chloro-2-phenylsulfanylphenyl)-1-[(2,5-dimethoxyphenyl)methyl]-3-methylurea
CID 139818202
N-(5-fluoro-2-phenoxyphenyl)-N-[(5-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 59765851
N-[6-bromo-2-(4-chlorophenoxy)-3-pyridinyl]-N-[(2-methoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-fluorophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-[6-bromo-2-(4-iodophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide;N-(6-bromo-2-phenoxy-3-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 160699740
N-[6-bromo-2-(4-chlorophenoxy)-3-pyridinyl]-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 58390501
1-[(2-methoxyphenyl)methyl]-1-(2-phenoxyphenyl)urea
CID 18407217
2-[2-[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-oxoethoxy]-5-chlorobenzoic acid
CID 110076904
N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxycyclohexa-1,5-dien-1-yl)acetamide
CID 54267361
N-[3-[2-[(N-acetyl-5-fluoro-2-phenoxyanilino)methyl]-4-methoxyanilino]-2,3-dimethylbutan-2-yl]acetamide
CID 71049772

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide (CID 122591164) is N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is COc1ccc(OC)c(CN(C(=O)CF)c2cc(Cl)ccc2Oc2ccccc2)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
The InChIKey is WXXXLSIQXOUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO4/c1-28-19-9-11-21(29-2)16(12-19)15-26(23(27)14-25)20-13-17(24)8-10-22(20)30-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide?
N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide has a molecular weight of 429.88 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 122591164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).